Geometry & MOs

Info

ID:	41880
PubChem CID:	8147618
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	10.6
IP(EA), eV:	-9.2(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-2-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C4=C(C=C(C=C4)C)C(=O)C3=O

DOS

IR

Vibrations